SCHEMBL7778448

SCHEMBL7778448

Nc1c(Cc2ccc(Cl)cc2Cl)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.52
▸ FABP4 P15090 1/20 0.52
▸ FABP5 Q01469 1/20 0.52
▸ TBXA2R P21731 1/20 0.51
▸ PTGFR P43088 1/20 0.51
▸ PTGER3 P43115 1/20 0.51
▸ PTGER2 P43116 1/20 0.51
▸ PTGIR P43119 1/20 0.51
▸ PTGDR Q13258 1/20 0.51
▸ MRGPRX4 Q96LA9 6/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.45
▸ NR4A2 P43354 2/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ G6PD P11413 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11548850 0.85 ALDH1A1 (0.52) TSHRALDH1A1TP53G6PDCASP7
SCHEMBL30934865 0.83 G6PD (0.59) TSHRALDH1A1G6PDCASP7CASP6
SCHEMBL4444648 0.83 G6PD (0.59) TSHRALDH1A1G6PDCASP7CASP6
SCHEMBL7781040 0.81 TSHR (0.51) TSHRNR4A1ALDH1A1G6PDCASP7
SCHEMBL7780243 0.75 ABCB11 (0.51) ALDH1A1G6PDCASP7CASP6
SCHEMBL3361331 0.73 TSHR (0.57) TSHRALDH1A1G6PDCASP7CASP6
SCHEMBL27965749 0.73 G6PD (0.55) TSHRALDH1A1TP53G6PDCASP7
SCHEMBL27853748 0.72 ALDH1A1 (0.61) FABP3FABP4FABP5MRGPRX4SMN1; SMN2
SCHEMBL9749113 0.72 ABCB11 (0.54) SMN1; SMN2TSHRCASP1
SCHEMBL2097653 0.72 IDO1 (0.65) TBXA2RPTGFRPTGER3PTGER2PTGIR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 — — EP disclosed
US-5981749-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-11-09 — — US disclosed
US-5973145-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-26 — — US disclosed
US-5795984-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-18 — — US disclosed
EP-0781767-A1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 — — EP disclosed
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